SCHEMBL9131099

SCHEMBL9131099

O=C1c2ccccc2S(O)(O)N1CCCCN1CCC(OCc2ccccc2F)C1

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ CARM1 Q86X55 1/20 0.45
▸ PRMT6 Q96LA8 1/20 0.45
▸ HTR1A P08908 2/20 0.43
▸ DRD2 P14416 2/20 0.43
▸ HTR2A P28223 1/20 0.43
▸ HTR7 P34969 1/20 0.43
▸ HTR6 P50406 1/20 0.43
▸ CA12 O43570 1/20 0.40
▸ ADRA1D P25100 2/20 0.39
▸ ADRA1A P35348 2/20 0.39
▸ ADRA1B P35368 2/20 0.39
▸ DRD4 P21917 1/20 0.38
▸ DRD5 P21918 1/20 0.38
▸ DRD3 P35462 1/20 0.38

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL9131091 0.90 DRD2 (0.56) HTR1ADRD2HTR2AHTR7HTR6
SCHEMBL9130343 0.87 HTR1A (0.45) HTR1ADRD2HTR2AHTR7HTR6
SCHEMBL9129940 0.82 HTR2A (0.40) HTR1ADRD2HTR2AHTR7HTR6
SCHEMBL9129953 0.78 HTR1A (0.52) HTR1ADRD2HTR2AHTR7HTR6
SCHEMBL9131371 0.77 HTR1A (0.51) HTR1ADRD2HTR2AHTR7HTR6
SCHEMBL9131046 0.77 HTR1A (0.54) HTR1ADRD2HTR2AHTR7HTR6
SCHEMBL9134839 0.77 ADRA1D (0.42) HTR1ADRD2HTR2AHTR7HTR6
SCHEMBL9470558 0.77 HTR1A (0.39) HTR1ADRD2HTR2AHTR7HTR6
SCHEMBL9130339 0.77 HTR1A (0.57) HTR1ADRD2HTR2AHTR7HTR6
SCHEMBL9131013 0.77 DRD2 (0.51) HTR1ADRD2HTR2AHTR7HTR6

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5453437-A 1,3-disubstituted pyrrolidines BAYER AKTIENGESELLSCHAFT (DE) 1995-09-26 — — US disclosed
US-5274097-A A 1-N-heterocyclic alkylene-3-carbo or heterocyclic ring oxypyrrolidine derivative BAYER AKTIENGESELLSCHAFT (DE) 1993-12-28 — — US disclosed
US-5037841-A For treating nervous system disorders BAYER AKTIENGESELLSCHAFT (DE) 1991-08-06 — — US disclosed
Send feedback